CONFLIST RSB        RSBBK RSB01 RSB+1 

NATOM    RSBBK      6
NATOM    RSB01      61
NATOM    RSB+1      62

IATOM    RSBBK  N   0
IATOM    RSBBK  H   1
IATOM    RSBBK  CA  2
IATOM    RSBBK  HA  3
IATOM    RSBBK  C   4
IATOM    RSBBK  O   5
IATOM    RSB01  CB  0
IATOM    RSB01 1HB  1
IATOM    RSB01 2HB  2
IATOM    RSB01  CG  3
IATOM    RSB01 1HG  4
IATOM    RSB01 2HG  5
IATOM    RSB01  CD  6
IATOM    RSB01 1HD  7
IATOM    RSB01 2HD  8
IATOM    RSB01  CE  9
IATOM    RSB01 1HE  10
IATOM    RSB01 2HE  11
IATOM    RSB01  NZ  12
IATOM    RSB01  C1  13
IATOM    RSB01  C2  14
IATOM    RSB01 1H2  15
IATOM    RSB01 2H2  16
IATOM    RSB01  C3  17
IATOM    RSB01 1H3  18
IATOM    RSB01 2H3  19
IATOM    RSB01  C4  20
IATOM    RSB01 1H4  21
IATOM    RSB01 2H4  22
IATOM    RSB01  C5  23
IATOM    RSB01  C6  24
IATOM    RSB01  C7  25
IATOM    RSB01  H7  26
IATOM    RSB01  C8  27
IATOM    RSB01  H8  28
IATOM    RSB01  C9  29
IATOM    RSB01  C10 30
IATOM    RSB01  H10 31
IATOM    RSB01  C11 32
IATOM    RSB01  H11 33
IATOM    RSB01  C12 34
IATOM    RSB01  H12 35
IATOM    RSB01  C13 36
IATOM    RSB01  C14 37
IATOM    RSB01  H14 38
IATOM    RSB01  C15 39
IATOM    RSB01  H15 40
IATOM    RSB01  C16 41
IATOM    RSB01 1H16 42
IATOM    RSB01 2H16 43
IATOM    RSB01 3H16 44
IATOM    RSB01  C17 45
IATOM    RSB01 1H17 46
IATOM    RSB01 2H17 47
IATOM    RSB01 3H17 48
IATOM    RSB01  C18 49
IATOM    RSB01 1H18 50
IATOM    RSB01 2H18 51
IATOM    RSB01 3H18 52
IATOM    RSB01  C19 53
IATOM    RSB01 1H19 54
IATOM    RSB01 2H19 55
IATOM    RSB01 3H19 56
IATOM    RSB01  C20 57
IATOM    RSB01 1H20 58
IATOM    RSB01 2H20 59
IATOM    RSB01 3H20 60
IATOM    RSB+1  CB  0
IATOM    RSB+1 1HB  1
IATOM    RSB+1 2HB  2
IATOM    RSB+1  CG  3
IATOM    RSB+1 1HG  4
IATOM    RSB+1 2HG  5
IATOM    RSB+1  CD  6
IATOM    RSB+1 1HD  7
IATOM    RSB+1 2HD  8
IATOM    RSB+1  CE  9
IATOM    RSB+1 1HE  10
IATOM    RSB+1 2HE  11
IATOM    RSB+1  NZ  12
IATOM    RSB+1  HZ  13
IATOM    RSB+1  C1  14
IATOM    RSB+1  C2  15
IATOM    RSB+1 1H2  16
IATOM    RSB+1 2H2  17
IATOM    RSB+1  C3  18
IATOM    RSB+1 1H3  19
IATOM    RSB+1 2H3  20
IATOM    RSB+1  C4  21
IATOM    RSB+1 1H4  22
IATOM    RSB+1 2H4  23
IATOM    RSB+1  C5  24
IATOM    RSB+1  C6  25
IATOM    RSB+1  C7  26
IATOM    RSB+1  H7  27
IATOM    RSB+1  C8  28
IATOM    RSB+1  H8  29
IATOM    RSB+1  C9  30
IATOM    RSB+1  C10 31
IATOM    RSB+1  H10 32
IATOM    RSB+1  C11 33
IATOM    RSB+1  H11 34
IATOM    RSB+1  C12 35
IATOM    RSB+1  H12 36
IATOM    RSB+1  C13 37
IATOM    RSB+1  C14 38
IATOM    RSB+1  H14 39
IATOM    RSB+1  C15 40
IATOM    RSB+1  H15 41
IATOM    RSB+1  C16 42
IATOM    RSB+1 1H16 43
IATOM    RSB+1 2H16 44
IATOM    RSB+1 3H16 45
IATOM    RSB+1  C17 46
IATOM    RSB+1 1H17 47
IATOM    RSB+1 2H17 48
IATOM    RSB+1 3H17 49
IATOM    RSB+1  C18 50
IATOM    RSB+1 1H18 51
IATOM    RSB+1 2H18 52
IATOM    RSB+1 3H18 53
IATOM    RSB+1  C19 54
IATOM    RSB+1 1H19 55
IATOM    RSB+1 2H19 56
IATOM    RSB+1 3H19 57
IATOM    RSB+1  C20 58
IATOM    RSB+1 1H20 59
IATOM    RSB+1 2H20 60
IATOM    RSB+1 3H20 61

ATOMNAME RSBBK    0  N  
ATOMNAME RSBBK    1  H  
ATOMNAME RSBBK    2  CA 
ATOMNAME RSBBK    3  HA 
ATOMNAME RSBBK    4  C  
ATOMNAME RSBBK    5  O  
ATOMNAME RSB01    0  CB 
ATOMNAME RSB01    1 1HB 
ATOMNAME RSB01    2 2HB 
ATOMNAME RSB01    3  CG 
ATOMNAME RSB01    4 1HG 
ATOMNAME RSB01    5 2HG 
ATOMNAME RSB01    6  CD 
ATOMNAME RSB01    7 1HD 
ATOMNAME RSB01    8 2HD 
ATOMNAME RSB01    9  CE 
ATOMNAME RSB01   10 1HE 
ATOMNAME RSB01   11 2HE 
ATOMNAME RSB01   12  NZ 
ATOMNAME RSB01   13  C1 
ATOMNAME RSB01   14  C2 
ATOMNAME RSB01   15 1H2 
ATOMNAME RSB01   16 2H2 
ATOMNAME RSB01   17  C3 
ATOMNAME RSB01   18 1H3 
ATOMNAME RSB01   19 2H3 
ATOMNAME RSB01   20  C4 
ATOMNAME RSB01   21 1H4 
ATOMNAME RSB01   22 2H4 
ATOMNAME RSB01   23  C5 
ATOMNAME RSB01   24  C6 
ATOMNAME RSB01   25  C7 
ATOMNAME RSB01   26  H7 
ATOMNAME RSB01   27  C8 
ATOMNAME RSB01   28  H8 
ATOMNAME RSB01   29  C9 
ATOMNAME RSB01   30  C10
ATOMNAME RSB01   31  H10
ATOMNAME RSB01   32  C11
ATOMNAME RSB01   33  H11
ATOMNAME RSB01   34  C12
ATOMNAME RSB01   35  H12
ATOMNAME RSB01   36  C13
ATOMNAME RSB01   37  C14
ATOMNAME RSB01   38  H14
ATOMNAME RSB01   39  C15
ATOMNAME RSB01   40  H15
ATOMNAME RSB01   41  C16
ATOMNAME RSB01   42 1H16
ATOMNAME RSB01   43 2H16
ATOMNAME RSB01   44 3H16
ATOMNAME RSB01   45  C17
ATOMNAME RSB01   46 1H17
ATOMNAME RSB01   47 2H17
ATOMNAME RSB01   48 3H17
ATOMNAME RSB01   49  C18
ATOMNAME RSB01   50 1H18
ATOMNAME RSB01   51 2H18
ATOMNAME RSB01   52 3H18
ATOMNAME RSB01   53  C19
ATOMNAME RSB01   54 1H19
ATOMNAME RSB01   55 2H19
ATOMNAME RSB01   56 3H19
ATOMNAME RSB01   57  C20
ATOMNAME RSB01   58 1H20
ATOMNAME RSB01   59 2H20
ATOMNAME RSB01   60 3H20
ATOMNAME RSB+1    0  CB 
ATOMNAME RSB+1    1 1HB 
ATOMNAME RSB+1    2 2HB 
ATOMNAME RSB+1    3  CG 
ATOMNAME RSB+1    4 1HG 
ATOMNAME RSB+1    5 2HG 
ATOMNAME RSB+1    6  CD 
ATOMNAME RSB+1    7 1HD 
ATOMNAME RSB+1    8 2HD 
ATOMNAME RSB+1    9  CE 
ATOMNAME RSB+1   10 1HE 
ATOMNAME RSB+1   11 2HE 
ATOMNAME RSB+1   12  NZ 
ATOMNAME RSB+1   13  HZ 
ATOMNAME RSB+1   14  C1 
ATOMNAME RSB+1   15  C2 
ATOMNAME RSB+1   16 1H2 
ATOMNAME RSB+1   17 2H2 
ATOMNAME RSB+1   18  C3 
ATOMNAME RSB+1   19 1H3 
ATOMNAME RSB+1   20 2H3 
ATOMNAME RSB+1   21  C4 
ATOMNAME RSB+1   22 1H4 
ATOMNAME RSB+1   23 2H4 
ATOMNAME RSB+1   24  C5 
ATOMNAME RSB+1   25  C6 
ATOMNAME RSB+1   26  C7 
ATOMNAME RSB+1   27  H7 
ATOMNAME RSB+1   28  C8 
ATOMNAME RSB+1   29  H8 
ATOMNAME RSB+1   30  C9 
ATOMNAME RSB+1   31  C10
ATOMNAME RSB+1   32  H10
ATOMNAME RSB+1   33  C11
ATOMNAME RSB+1   34  H11
ATOMNAME RSB+1   35  C12
ATOMNAME RSB+1   36  H12
ATOMNAME RSB+1   37  C13
ATOMNAME RSB+1   38  C14
ATOMNAME RSB+1   39  H14
ATOMNAME RSB+1   40  C15
ATOMNAME RSB+1   41  H15
ATOMNAME RSB+1   42  C16
ATOMNAME RSB+1   43 1H16
ATOMNAME RSB+1   44 2H16
ATOMNAME RSB+1   45 3H16
ATOMNAME RSB+1   46  C17
ATOMNAME RSB+1   47 1H17
ATOMNAME RSB+1   48 2H17
ATOMNAME RSB+1   49 3H17
ATOMNAME RSB+1   50  C18
ATOMNAME RSB+1   51 1H18
ATOMNAME RSB+1   52 2H18
ATOMNAME RSB+1   53 3H18
ATOMNAME RSB+1   54  C19
ATOMNAME RSB+1   55 1H19
ATOMNAME RSB+1   56 2H19
ATOMNAME RSB+1   57 3H19
ATOMNAME RSB+1   58  C20
ATOMNAME RSB+1   59 1H20
ATOMNAME RSB+1   60 2H20
ATOMNAME RSB+1   61 3H20






#1.Basic Conformer Information: name, pka, em, rxn.
PROTON   RSB01      0
PROTON   RSB+1      +1
PKA      RSB01      0.0
PKA      RSB+1      7.0 
ELECTRON RSB01      0
ELECTRON RSB+1      0
EM       RSB01      0.0
EM       RSB+1      0.0
RXN      RSB01       -1.231 # calculated using retinal structure in 1C8R -Yifan
RXN      RSB+1       -5.313 # calculated using retinal structure in 1C8R -Yifan
#RXN      RSB01      -2.18 # 1/2 of existing value
#RXN      RSB+1      -5.90 # 1/2 of existing value

#2.Structure Connectivity
#23456789A123456789B123456789C123456789D123456789E123456789F123456789G123456789H123456789I
CONNECT  RSBBK  N   sp2       -1    C   0     CA  0     H
CONNECT  RSBBK  H   s         0     N
CONNECT  RSBBK  CA  sp3       0     N   0     C   0     CB  0     HA
CONNECT  RSBBK  HA  s         0     CA
CONNECT  RSBBK  C   sp2       0     CA  0     O   1     N
CONNECT  RSBBK  O   sp2       0     C
CONNECT  RSB01  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  RSB01 1HB  s         0     CB
CONNECT  RSB01 2HB  s         0     CB
CONNECT  RSB01  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  RSB01 1HG  s         0     CG
CONNECT  RSB01 2HG  s         0     CG
CONNECT  RSB01  CD  sp3       0     CG  0     CE  0    1HD  0    2HD  
CONNECT  RSB01 1HD  s         0     CD
CONNECT  RSB01 2HD  s         0     CD 
CONNECT  RSB01  CE  sp3       0     CD  0     NZ  0    1HE  0    2HE  
CONNECT  RSB01 1HE  s         0     CE
CONNECT  RSB01 2HE  s         0     CE
CONNECT  RSB01  NZ  sp2       0     CE  0     C15
CONNECT  RSB01  C1  sp3       0     C2  0     C6  0     C16 0     C17
CONNECT  RSB01  C2  sp3       0     C1  0     C3  0    1H2  0    2H2
CONNECT  RSB01 1H2  s         0     C2
CONNECT  RSB01 2H2  s         0     C2
CONNECT  RSB01  C3  sp3       0     C2  0     C4  0    1H3  0    2H3
CONNECT  RSB01 1H3  s         0     C3
CONNECT  RSB01 2H3  s         0     C3
CONNECT  RSB01  C4  sp3       0     C3  0     C5  0    1H4  0    2H4
CONNECT  RSB01 1H4  s         0     C4
CONNECT  RSB01 2H4  s         0     C4
CONNECT  RSB01  C5  sp2       0     C4  0     C6  0     C18
CONNECT  RSB01  C6  sp2       0     C1  0     C5  0     C7
CONNECT  RSB01  C7  sp2       0     C6  0     C8  0     H7
CONNECT  RSB01  H7  s         0     C7
CONNECT  RSB01  C8  sp2       0     C7  0     C9  0     H8
CONNECT  RSB01  H8  s         0     C8
CONNECT  RSB01  C9  sp2       0     C8  0     C10 0     C19
CONNECT  RSB01  C10 sp2       0     C9  0     C11 0     H10
CONNECT  RSB01  H10 s         0     C10
CONNECT  RSB01  C11 sp2       0     C10 0     C12 0     H11
CONNECT  RSB01  H11 s         0     C11
CONNECT  RSB01  C12 sp2       0     C11 0     C13 0     H12
CONNECT  RSB01  H12 s         0     C12
CONNECT  RSB01  C13 sp2       0     C12 0     C14 0     C20
CONNECT  RSB01  C14 sp2       0     C13 0     C15 0     H14
CONNECT  RSB01  H14 s         0     C14
CONNECT  RSB01  C15 sp2       0     C14 0     NZ  0     H15
CONNECT  RSB01  H15 s         0     C15
CONNECT  RSB01  C16 sp3       0     C1  0    1H16 0    2H16 0    3H16
CONNECT  RSB01 1H16 s         0     C16
CONNECT  RSB01 2H16 s         0     C16
CONNECT  RSB01 3H16 s         0     C16
CONNECT  RSB01  C17 sp3       0     C1  0    1H17 0    2H17 0    3H17
CONNECT  RSB01 1H17 s         0     C17
CONNECT  RSB01 2H17 s         0     C17
CONNECT  RSB01 3H17 s         0     C17
CONNECT  RSB01  C18 sp3       0     C5  0    1H18 0    2H18 0    3H18
CONNECT  RSB01 1H18 s         0     C18
CONNECT  RSB01 2H18 s         0     C18
CONNECT  RSB01 3H18 s         0     C18
CONNECT  RSB01  C19 sp3       0     C9  0    1H19 0    2H19 0    3H19
CONNECT  RSB01 1H19 s         0     C19
CONNECT  RSB01 2H19 s         0     C19
CONNECT  RSB01 3H19 s         0     C19
CONNECT  RSB01  C20 sp3       0     C13 0    1H20 0    2H20 0    3H20
CONNECT  RSB01 1H20 s         0     C20
CONNECT  RSB01 2H20 s         0     C20
CONNECT  RSB01 3H20 s         0     C20
CONNECT  RSB+1  CB  sp3       0     CA  0     CG  0    1HB  0    2HB
CONNECT  RSB+1 1HB  s         0     CB
CONNECT  RSB+1 2HB  s         0     CB
CONNECT  RSB+1  CG  sp3       0     CB  0     CD  0    1HG  0    2HG
CONNECT  RSB+1 1HG  s         0     CG
CONNECT  RSB+1 2HG  s         0     CG
CONNECT  RSB+1  CD  sp3       0     CG  0     CE  0    1HD  0    2HD
CONNECT  RSB+1 1HD  s         0     CD 
CONNECT  RSB+1 2HD  s         0     CD 
CONNECT  RSB+1  CE  sp3       0     CD  0     NZ  0    1HE  0    2HE
CONNECT  RSB+1 1HE  s         0     CE
CONNECT  RSB+1 2HE  s         0     CE
CONNECT  RSB+1  NZ  sp2       0     CE  0     C15 0     HZ
CONNECT  RSB+1  HZ  s         0     NZ
CONNECT  RSB+1  C1  sp3       0     C2  0     C6  0     C16 0     C17
CONNECT  RSB+1  C2  sp3       0     C1  0     C3  0    1H2  0    2H2
CONNECT  RSB+1 1H2  s         0     C2
CONNECT  RSB+1 2H2  s         0     C2
CONNECT  RSB+1  C3  sp3       0     C2  0     C4  0    1H3  0    2H3
CONNECT  RSB+1 1H3  s         0     C3
CONNECT  RSB+1 2H3  s         0     C3
CONNECT  RSB+1  C4  sp3       0     C3  0     C5  0    1H4  0    2H4
CONNECT  RSB+1 1H4  s         0     C4
CONNECT  RSB+1 2H4  s         0     C4
CONNECT  RSB+1  C5  sp2       0     C4  0     C6  0     C18
CONNECT  RSB+1  C6  sp2       0     C1  0     C5  0     C7
CONNECT  RSB+1  C7  sp2       0     C6  0     C8  0     H7
CONNECT  RSB+1  H7  s         0     C7
CONNECT  RSB+1  C8  sp2       0     C7  0     C9  0     H8
CONNECT  RSB+1  H8  s         0     C8
CONNECT  RSB+1  C9  sp2       0     C8  0     C10 0     C19
CONNECT  RSB+1  C10 sp2       0     C9  0     C11 0     H10
CONNECT  RSB+1  H10 s         0     C10
CONNECT  RSB+1  C11 sp2       0     C10 0     C12 0     H11
CONNECT  RSB+1  H11 s         0     C11
CONNECT  RSB+1  C12 sp2       0     C11 0     C13 0     H12
CONNECT  RSB+1  H12 s         0     C12
CONNECT  RSB+1  C13 sp2       0     C12 0     C14 0     C20
CONNECT  RSB+1  C14 sp2       0     C13 0     C15 0     H14
CONNECT  RSB+1  H14 s         0     C14
CONNECT  RSB+1  C15 sp2       0     C14 0     NZ  0     H15
CONNECT  RSB+1  H15 s         0     C15
CONNECT  RSB+1  C16 sp3       0     C1  0    1H16 0    2H16 0    3H16
CONNECT  RSB+1 1H16 s         0     C16
CONNECT  RSB+1 2H16 s         0     C16
CONNECT  RSB+1 3H16 s         0     C16
CONNECT  RSB+1  C17 sp3       0     C1  0    1H17 0    2H17 0    3H17
CONNECT  RSB+1 1H17 s         0     C17
CONNECT  RSB+1 2H17 s         0     C17
CONNECT  RSB+1 3H17 s         0     C17
CONNECT  RSB+1  C18 sp3       0     C5  0    1H18 0    2H18 0    3H18
CONNECT  RSB+1 1H18 s         0     C18
CONNECT  RSB+1 2H18 s         0     C18
CONNECT  RSB+1 3H18 s         0     C18
CONNECT  RSB+1  C19 sp3       0     C9  0    1H19 0    2H19 0    3H19
CONNECT  RSB+1 1H19 s         0     C19
CONNECT  RSB+1 2H19 s         0     C19
CONNECT  RSB+1 3H19 s         0     C19
CONNECT  RSB+1  C20 sp3       0     C13 0    1H20 0    2H20 0    3H20
CONNECT  RSB+1 1H20 s         0     C20
CONNECT  RSB+1 2H20 s         0     C20
CONNECT  RSB+1 3H20 s         0     C20

#3.Atom Parameters: Partial Charges and Radii
# Radii from "Bondi, J.Phys.Chem., 68, 441, 1964."
RADIUS   RSB    N   1.50
RADIUS   RSB    H   1.00
RADIUS   RSB    CA  2.00
RADIUS   RSB    HA  0.00
RADIUS   RSB    C   1.70
RADIUS   RSB    O   1.40
RADIUS   RSB    CB  2.00
RADIUS   RSB   1HB  0.00
RADIUS   RSB   2HB  0.00
RADIUS   RSB    CG  2.00
RADIUS   RSB   1HG  0.00
RADIUS   RSB   2HG  0.00
RADIUS   RSB    CD  2.00
RADIUS   RSB   1HD  0.00
RADIUS   RSB   2HD  0.00
RADIUS   RSB    CE  2.00
RADIUS   RSB   1HE  1.00
RADIUS   RSB   2HE  1.00
RADIUS   RSB    NZ  1.50
RADIUS   RSB    HZ  0.00
RADIUS   RSB    C1  2.00
RADIUS   RSB    C2  2.00
RADIUS   RSB   1H2  1.00
RADIUS   RSB   2H2  1.00
RADIUS   RSB    C3  2.00
RADIUS   RSB   1H3  1.00
RADIUS   RSB   2H3  1.00
RADIUS   RSB    C4  2.00
RADIUS   RSB   1H4  1.00
RADIUS   RSB   2H4  1.00
RADIUS   RSB    C5  2.00
RADIUS   RSB    C6  2.00
RADIUS   RSB    C7  2.00
RADIUS   RSB    H7  1.00
RADIUS   RSB    C8  2.00
RADIUS   RSB    H8  1.00
RADIUS   RSB    C9  2.00
RADIUS   RSB    C10 2.00
RADIUS   RSB    H10 1.00
RADIUS   RSB    C11 2.00
RADIUS   RSB    H11 1.00
RADIUS   RSB    C12 2.00
RADIUS   RSB    H12 1.00
RADIUS   RSB    C13 2.00
RADIUS   RSB    C14 2.00
RADIUS   RSB    H14 1.00
RADIUS   RSB    C15 2.00
RADIUS   RSB    H15 1.00
RADIUS   RSB    C16 2.00
RADIUS   RSB   1H16 1.00
RADIUS   RSB   2H16 1.00
RADIUS   RSB   3H16 1.00
RADIUS   RSB    C17 2.00
RADIUS   RSB   1H17 1.00
RADIUS   RSB   2H17 1.00
RADIUS   RSB   3H17 1.00
RADIUS   RSB    C18 2.00
RADIUS   RSB   1H18 1.00
RADIUS   RSB   2H18 1.00
RADIUS   RSB   3H18 1.00
RADIUS   RSB    C19 2.00
RADIUS   RSB   1H19 1.00
RADIUS   RSB   2H19 1.00
RADIUS   RSB   3H19 1.00
RADIUS   RSB    C20 2.00
RADIUS   RSB   1H20 1.00
RADIUS   RSB   2H20 1.00
RADIUS   RSB   3H20 1.00
CHARGE   RSBBK  N    -0.350
CHARGE   RSBBK  H     0.250
CHARGE   RSBBK  CA    0.100
CHARGE   RSBBK  C     0.550
CHARGE   RSBBK  O    -0.550
CHARGE   RSB01  CE   -0.020
CHARGE   RSB01 1HE    0.089
CHARGE   RSB01 2HE    0.089
CHARGE   RSB01  NZ   -0.474
CHARGE   RSB01  HZ    0.000
CHARGE   RSB01  C1    0.690
CHARGE   RSB01  C2   -0.188
CHARGE   RSB01 1H2    0.040
CHARGE   RSB01 2H2    0.040
CHARGE   RSB01  C3   -0.081
CHARGE   RSB01 1H3    0.047
CHARGE   RSB01 2H3    0.047
CHARGE   RSB01  C4   -0.085
CHARGE   RSB01 1H4    0.064
CHARGE   RSB01 2H4    0.064
CHARGE   RSB01  C5    0.024
CHARGE   RSB01  C6   -0.301
CHARGE   RSB01  C7   -0.129
CHARGE   RSB01  H7    0.189
CHARGE   RSB01  C8   -0.330
CHARGE   RSB01  H8    0.208
CHARGE   RSB01  C9    0.138
CHARGE   RSB01  C10  -0.349
CHARGE   RSB01  H10   0.188
CHARGE   RSB01  C11  -0.053
CHARGE   RSB01  H11   0.170
CHARGE   RSB01  C12  -0.373
CHARGE   RSB01  H12   0.224
CHARGE   RSB01  C13   0.244
CHARGE   RSB01  C14  -0.507
CHARGE   RSB01  H14   0.193
CHARGE   RSB01  C15   0.368
CHARGE   RSB01  H15   0.057
CHARGE   RSB01  C16  -0.436
CHARGE   RSB01 1H16   0.088
CHARGE   RSB01 2H16   0.088
CHARGE   RSB01 3H16   0.088
CHARGE   RSB01  C17  -0.436
CHARGE   RSB01 1H17   0.088
CHARGE   RSB01 2H17   0.088
CHARGE   RSB01 3H17   0.088
CHARGE   RSB01  C18  -0.269
CHARGE   RSB01 1H18   0.095
CHARGE   RSB01 2H18   0.095
CHARGE   RSB01 3H18   0.095
CHARGE   RSB01  C19  -0.219
CHARGE   RSB01 1H19   0.087
CHARGE   RSB01 2H19   0.087
CHARGE   RSB01 3H19   0.087
CHARGE   RSB01  C20  -0.321
CHARGE   RSB01 1H20   0.108
CHARGE   RSB01 2H20   0.108
CHARGE   RSB01 3H20   0.108
CHARGE   RSB+1  CE   -0.102
CHARGE   RSB+1 1HE    0.146
CHARGE   RSB+1 2HE    0.146
CHARGE   RSB+1  NZ   -0.260
CHARGE   RSB+1  HZ    0.346
CHARGE   RSB+1  C1    0.604
CHARGE   RSB+1  C2   -0.192
CHARGE   RSB+1 1H2    0.057
CHARGE   RSB+1 2H2    0.057
CHARGE   RSB+1  C3   -0.089
CHARGE   RSB+1 1H3    0.066
CHARGE   RSB+1 2H3    0.066
CHARGE   RSB+1  C4   -0.108
CHARGE   RSB+1 1H4    0.092
CHARGE   RSB+1 2H4    0.092
CHARGE   RSB+1  C5    0.081
CHARGE   RSB+1  C6   -0.243
CHARGE   RSB+1  C7   -0.076
CHARGE   RSB+1  H7    0.172
CHARGE   RSB+1  C8   -0.300
CHARGE   RSB+1  H8    0.205
CHARGE   RSB+1  C9    0.173
CHARGE   RSB+1  C10  -0.345
CHARGE   RSB+1  H10   0.204
CHARGE   RSB+1  C11   0.032
CHARGE   RSB+1  H11   0.157
CHARGE   RSB+1  C12  -0.413
CHARGE   RSB+1  H12   0.227
CHARGE   RSB+1  C13   0.305
CHARGE   RSB+1  C14  -0.487
CHARGE   RSB+1  H14   0.213
CHARGE   RSB+1  C15   0.054
CHARGE   RSB+1  H15   0.205
CHARGE   RSB+1  C16  -0.454
CHARGE   RSB+1 1H16   0.101
CHARGE   RSB+1 2H16   0.101
CHARGE   RSB+1 3H16   0.101
CHARGE   RSB+1  C17  -0.427
CHARGE   RSB+1 1H17   0.101
CHARGE   RSB+1 2H17   0.101
CHARGE   RSB+1 3H17   0.101
CHARGE   RSB+1  C18  -0.329
CHARGE   RSB+1 1H18   0.128
CHARGE   RSB+1 2H18   0.128
CHARGE   RSB+1 3H18   0.128
CHARGE   RSB+1  C19  -0.263
CHARGE   RSB+1 1H19   0.116
CHARGE   RSB+1 2H19   0.116
CHARGE   RSB+1 3H19   0.116
CHARGE   RSB+1  C20  -0.358
CHARGE   RSB+1 1H20   0.136
CHARGE   RSB+1 2H20   0.136
CHARGE   RSB+1 3H20   0.136

#=========================================================================
#        GRP   #      BOND     AFFECTED_ATOMS
#123456789012345678901234567890
#-------|---|----|-|---------|----|----|----|----|----|----|----|----|----

#=========================================================================
